N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine

C16H28N4O — CID 80985308

IUPACN-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C16H28N4O/c1-5-8-14-18-15(17-6-2)13(4)16(19-14)20-9-7-10-21-12(3)11-20/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyPSOPIIVTBYJNBF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.78
Rot. Bonds5

About N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine

N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine (PubChem CID 80985308) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
PubChem CID80985308
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C16H28N4O/c1-5-8-14-18-15(17-6-2)13(4)16(19-14)20-9-7-10-21-12(3)11-20/h12H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyPSOPIIVTBYJNBF-UHFFFAOYSA-N
XLogP2.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683989
6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 104961762
N-ethyl-5-methyl-6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-amine
CID 80993713
[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80919581
N,5-diethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 80823670
4-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80991624
N-ethyl-5-methyl-2-propyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80992607
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
N-ethyl-4-(2-methyl-1,4-oxazepan-4-yl)quinazolin-2-amine
CID 80807269
6-N-ethyl-5-methyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985469
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80981249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine (CID 80985308) is N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(N2CCCOC(C)C2)n1.
What is the InChIKey of N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
The InChIKey is PSOPIIVTBYJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-14-18-15(17-6-2)13(4)16(19-14)20-9-7-10-21-12(3)11-20/h12H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine?
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80985308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).